⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7032624 | 0.72 | — | — | |
| SCHEMBL8419103 | 0.71 | — | — | |
| SCHEMBL7036699 | 0.70 | — | — | |
| SCHEMBL15082736 | 0.62 | ALDH1A1 (0.36) | — | |
| Iodide SCHEMBL2827488 | 0.57 | — | — | |
| SCHEMBL294768 | 0.57 | — | — | |
| SCHEMBL300005 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL2829183 | 0.57 | — | — | |
| Bromide SCHEMBL2830437 | 0.57 | — | — | |
| SCHEMBL7176897 | 0.55 | TSHR (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944638-B1 | CIS-BRIDGED METAL COMPLEXES | BASF AG (DE) | 2003-06-11 | — | — | EP | disclosed |
| EP-0944666-B1 | CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS | BASF AG (DE) | 2003-03-05 | — | — | EP | disclosed |
| US-6103867-A | METAL COMPLEX MIXED WITH LEWIS AND/OR PROTIC ACIDS; SIMPLIFICATION, EFFICIENCY, HALOGEN-FREE STARTING MATERIALS | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |